SCHEMBL7507451

SCHEMBL7507451

COc1ccc(Cc2ccc(CN3CCCC3)c(C)c2)c(-c2ccc(OCC(O)CN3CCCC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 4/20 0.48
ATM Q13315 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 2/20 0.46
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
ADORA2A P29274 1/20 0.44
LMNA P02545 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7830026 0.85 F2 (0.51) KDM4EKMT2AL3MBTL1MAPTMEN1
SCHEMBL7774054 0.83 F2 (0.65) POLBKDM4E
SCHEMBL7774060 0.83 F2 (0.65) POLBKDM4E
SCHEMBL7440485 0.81 F2 (0.43)
SCHEMBL7504385 0.79 F2 (0.53)
SCHEMBL7809457 0.76 F2 (0.41)
SCHEMBL7773980 0.76 F2 (0.77)
SCHEMBL7773977 0.76 F2 (0.77)
SCHEMBL7452204 0.76 HRH3 (0.55)
SCHEMBL7451351 0.75 F2 (0.58) KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed